SMILES:
O=C1CC2C=CC(C1)O2Molecular Processing
Molecular formula
C7H8O2
Molecular weight
124.14
Exact mass
124.0524
XLogP
0.67
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
9
Rings
2
Aromatic rings
0
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.571
Molar refractivity
32.04
Supplementary Information
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